implement atom filters - Githubissues

singa-bio / singa

:leaves: SiNGA (Simulation of Natural Systems using Graph Automata) is an open-source library containing tools especially for structural bioinformatics and systems biology.

MIT License

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implement atom filters #20

Closed fkaiserbio closed 7 years ago

fkaiserbio commented 7 years ago

to conveniently deal with macromolecular structures we should implement a "Atom Filter" concept
using Java's Predicate it should be an ease to combine them to complex expressions, such as: only backbone, only sidechain, Calpha, etc...

fkaiserbio commented 7 years ago

AtomFilter now provides static access to Predicates that can be combined in manifold ways to allow precise selection of atoms.